Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H16O8/c1-10(21)28-14-5-4-11-18(22)13(8-25-19(11)20(14)24-3)12-6-16-17(27-9-26-16)7-15(12)23-2/h4-8H,9H2,1-3H3
InChIKey: InChIKey=XIGITUFTUKXKRH-UHFFFAOYSA-N
Formula: C20H16O8
Molecular Weight: 384.337009
Exact Mass: 384.084517
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rao, E.V., Murthy, M.S.R., Ward, R.S. Phytochemistry (1984) 23, 1493-501
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (CH) | 154.2 |
| 3 (C) | 122.5 |
| 4 (C) | 175.5 |
| 5 (CH) | 120 |
| 6 (CH) | 121.1 |
| 7 (C) | 150.7 |
| 8 (C) | 141.3 |
| 9 (C) | 146.9 |
| 10 (C) | 123.9 |
| 1' (C) | 112.2 |
| 2' (C) | 153 |
| 3' (CH) | 95.5 |
| 4' (C) | 148.7 |
| 5' (C) | 141.3 |
| 6' (CH) | 111.1 |
| 7a (C) | 168.4 |
| 7b (CH3) | 21 |
| 8a (CH3) | 56.9 |
| 2'a (CH3) | 61.7 |
| 4'a (CH2) | 101.5 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.